SCHEMBL2943641

SCHEMBL2943641

O=C(O)c1ccc(-c2ccc3c(c2)ncn3CCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
F10 P00742 3/20 0.51
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.49
HTT P42858 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PLA2G4A P47712 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46
F2 P00734 2/20 0.44
HDAC2 Q92769 1/20 0.44
FGFR1 P11362 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HPGD P15428 1/20 0.43
PRSS1 P07477 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30138440 0.83 HTT (0.62) HDAC1F10KMT2APKMHTT
SCHEMBL2950203 0.76 HTT (0.56) HDAC1KMT2APKMHTTCYP11B1
SCHEMBL16148812 0.76 HTT (0.60) HDAC1F10KMT2APKMHTT
SCHEMBL229982 0.75 HTT (0.81) KMT2AHTTCYP11B1CYP11B2
SCHEMBL1607500 0.74 HDAC1 (0.58) HDAC1F10KMT2AHTTPDE4A
SCHEMBL16149721 0.74 KMT2A (0.52) HDAC1KMT2AFGFR1HPGD
SCHEMBL5942362 0.74 FGFR1 (0.79) FGFR1HPGD
SCHEMBL30930540 0.74 HPGD (0.68) PLA2G4AFGFR1HPGD
SCHEMBL2361153 0.73 HPGD (0.63) PLA2G4AFGFR1HPGD
SCHEMBL2947984 0.72 HSD17B10 (0.56) F10KMT2AHTTHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HDAC1 94/4885F10 2036/4885KMT2A 2902/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HDAC1 78/4885F10 3120/4885KMT2A 2895/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 HDAC1 94/4885F10 2036/4885KMT2A 2902/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR HDAC1 104/4885F10 3025/4885KMT2A 2456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.